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Recent Posts
- A personal tribute to the founder of MD simulation of biological molecules: Prof Herman J.C. Berendsen (1934-2019)
- The First 150 Years of the Periodic Table of the Elements
- Retro programming nostalgia III: the MSX Microcomputer and the Orbit of the Planets in the Solar System
- Numerical Integration of Differential Equations. Part I.: Katherine Goble and the Euler’s Method.
- The Calculation of the Lattice Energy: The Born-Haber Cycle
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- The calculation of the Madelung constant
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- A personal tribute to the founder of MD simulation of biological molecules: Prof Herman J.C. Berendsen (1934-2019)
- The Calculation of the Lattice Energy: The Born-Haber Cycle
- Fluorinated solvents models for MD simulations
- Il calcolo della costante di Madelung
- Modeling Natural Pattens and Forms I: Sunflowers Florets and the Golden Ratio
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Monthly Archives: August 2016
Molecular Properties of Astaxanthin in Water/Ethanol Solutions from Computer Simulations
Khadga Jung Karki, Susruta Samanta, and Danilo Roccatano* J. Phys. Chem. B, August 2016 DOI: 10.1021/acs.jpcb.6b06055 Astaxanthin (AXT) is a reference model of xanthophyll carotenoids, which is used in medicine and food industry, and has potential applications in nanotechnology. Because of its importance, there … Continue reading
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